Sugi Predict

Sugi Predict / Compounds / SCHEMBL615571

SCHEMBL615571

SCHEMBL615571

COc1ccccc1N1CCN(C(=O)c2cn(CCN(C)C)c3cc(Cl)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.58
▸ TACR3 P29371 4/20 0.51
▸ TACR1 P25103 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TACR2 P21452 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NOD2 Q9HC29 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL614946 0.91 AVPR1A (0.57) AVPR1AMAPTSMN1; SMN2LMNAHTT
SCHEMBL613508 0.89 TACR3 (0.52) TACR3TACR1CYP1A2CYP3A4CYP2D6
SCHEMBL612418 0.88 AVPR1A (0.62) AVPR1ATACR3MAPTSMN1; SMN2LMNA
SCHEMBL615550 0.88 TACR3 (0.51) TACR3TACR1CYP1A2CYP3A4CYP2D6
SCHEMBL613571 0.88 AVPR1A (0.59) AVPR1ATACR3TACR1CYP1A2CYP3A4
SCHEMBL614430 0.88 AVPR1A (0.60) AVPR1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL613195 0.86 TACR3 (0.53) TACR3MAPTSMN1; SMN2LMNAPOLB
SCHEMBL612975 0.86 TACR3 (0.52) TACR3TACR1MAPTSMN1; SMN2LMNA
SCHEMBL614143 0.85 AVPR1A (0.57) AVPR1AMAPTLMNAMEN1KMT2A
SCHEMBL615877 0.85 AVPR1A (0.61) AVPR1ATACR3TACR1CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US claimed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 — — US claimed
JP-2009502859-A — — 2009-01-29 — — JP claimed
EP-1465914-B1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS UNIV MINNESOTA (US) 2008-12-17 — — EP claimed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 — — EP claimed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO claimed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 — — US claimed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 — — EP disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 — — EP disclosed
WO-2011019060-A1 HEDGEHOG SIGNAL INHIBITOR 協和発酵キリン株式会社 (JP) 2011-02-17 — — WO disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 — — EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 — — US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 — — US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885TACR3 676/4885TACR1 71/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885TACR3 676/4885TACR1 71/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885TACR3 676/4885TACR1 71/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.